SCHEMBL5953411

SCHEMBL5953411

COc1cc(F)cc2c1-c1c(OC)cc(F)cc1C21NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AKR1A1 P14550 16/20 0.53
▸ AKR1B1 P15121 16/20 0.53
▸ ITGA4 P13612 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9671730 0.94 AKR1A1 (0.48) AKR1A1AKR1B1ITGA4
SCHEMBL1201500 0.88 AKR1A1 (0.66) AKR1A1AKR1B1
SCHEMBL9674175 0.79 AKR1A1 (0.60) AKR1A1AKR1B1ITGA4
SCHEMBL23178937 0.75 AKR1B1 (0.56) AKR1A1AKR1B1
SCHEMBL9672265 0.75 AKR1B1 (0.51) AKR1A1AKR1B1ITGA4
SCHEMBL25892758 0.73 AKR1A1 (0.69) AKR1A1AKR1B1ITGA4
SCHEMBL9672199 0.71 AKR1A1 (0.71) AKR1A1AKR1B1
SCHEMBL9674037 0.71 AKR1B1 (0.48) AKR1A1AKR1B1ITGA4
SCHEMBL9672184 0.70 AKR1B1 (0.46) AKR1A1AKR1B1ITGA4
SCHEMBL20845828 0.70 AKR1A1 (0.72) AKR1A1AKR1B1ITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058310-A1 Remedies for vertebral canal stenosis ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-16 — — US claimed
US-20060058310-A1 Remedies for vertebral canal stenosis ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058310-A1 Remedies for vertebral canal stenosis ALDOA, AKR1B1, AKR1A1 AKR1A1 3/4885AKR1B1 2/4885ITGA4 3899/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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